Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12cc(OCCN)c(OC)cc1c(nc(n2)N3CCCC3)NCCCCCN4CCCC4 |
InChI | InChI | 1.03 | InChI=1S/C24H38N6O2/c1-31-21-17-19-20(18-22(21)32-16-9-25)27-24(30-14-7-8-15-30)28-23(19)26-10-3-2-4-11-29-12-5-6-13-29/h17-18H,2-16,25H2,1H3,(H,26,27,28) |
InChIKey | InChI | 1.03 | UEDAXBZCRLISHC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCN)N4CCCC4 |
SMILES | CACTVS | 3.385 | COc1cc2c(NCCCCCN3CCCC3)nc(nc2cc1OCCN)N4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.5 | COc1cc2c(cc1OCCN)nc(nc2NCCCCCN3CCCC3)N4CCCC4 |